decyl-hexyl-dimethylazanium chloride

C18H40ClN — CID 19369138

IUPACdecyl-hexyl-dimethylazanium chloride
SMILESCCCCCCCCCC[N+](C)(C)CCCCCC.[Cl-]
InChIInChI=1S/C18H40N.ClH/c1-5-7-9-11-12-13-14-16-18-19(3,4)17-15-10-8-6-2;/h5-18H2,1-4H3;1H/q+1;/p-1
InChIKeyUTZNLRNMYKEXRJ-UHFFFAOYSA-M
MW305.98 g/mol
LogP2.79
Rot. Bonds14

About decyl-hexyl-dimethylazanium chloride

decyl-hexyl-dimethylazanium chloride (PubChem CID 19369138) has the molecular formula C18H40ClN and a molecular weight of 305.98 g/mol. Its IUPAC name is decyl-hexyl-dimethylazanium chloride.

Molecular Properties

Compound Namedecyl-hexyl-dimethylazanium chloride
PubChem CID19369138
Molecular FormulaC18H40ClN
Molecular Weight305.98 g/mol
Exact Mass305.28
IUPAC Namedecyl-hexyl-dimethylazanium chloride
SMILESCCCCCCCCCC[N+](C)(C)CCCCCC.[Cl-]
InChIInChI=1S/C18H40N.ClH/c1-5-7-9-11-12-13-14-16-18-19(3,4)17-15-10-8-6-2;/h5-18H2,1-4H3;1H/q+1;/p-1
InChIKeyUTZNLRNMYKEXRJ-UHFFFAOYSA-M
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.98
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

hexyl-icosyl-dimethylazanium chloride
CID 141083999
bis(hexadecyl-dimethyl-octadecylazanium) dichloride
CID 141075415
decyl-dimethyl-nonylazanium chloride
CID 23185420
heptyl-[4-[hexadecyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 175704870
hexatriacontyl-hexyl-dimethylazanium
CID 141487817
dodecyl-dimethyl-undecylazanium
CID 21491028
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-dimethyl-tetradecylazanium
CID 13075680
decyl-hexadecyl-dimethylazanium
CID 102585787
dimethyl-octadecyl-tricosylazanium
CID 158669819
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 12958280
decyl-[12-[decyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium
CID 12958288

Frequently Asked Questions

What is the IUPAC name of decyl-hexyl-dimethylazanium chloride?
The IUPAC name of decyl-hexyl-dimethylazanium chloride (CID 19369138) is decyl-hexyl-dimethylazanium chloride.
What is the SMILES notation for decyl-hexyl-dimethylazanium chloride?
The canonical SMILES for decyl-hexyl-dimethylazanium chloride is CCCCCCCCCC[N+](C)(C)CCCCCC.[Cl-].
What is the InChIKey of decyl-hexyl-dimethylazanium chloride?
The InChIKey is UTZNLRNMYKEXRJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H40N.ClH/c1-5-7-9-11-12-13-14-16-18-19(3,4)17-15-10-8-6-2;/h5-18H2,1-4H3;1H/q+1;/p-1.
What are the key properties of decyl-hexyl-dimethylazanium chloride?
decyl-hexyl-dimethylazanium chloride has a molecular weight of 305.98 g/mol, XLogP of 2.79, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-hexyl-dimethylazanium chloride is sourced from PubChem (CID 19369138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).